2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine

C17H19NOS — CID 104790256

IUPAC2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1csc2ccccc12)c1ccoc1C
InChIInChI=1S/C17H19NOS/c1-3-18-16(14-8-9-19-12(14)2)10-13-11-20-17-7-5-4-6-15(13)17/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeyPHRNGELNFOQJNN-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.70
Rot. Bonds5

About 2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine

2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine (PubChem CID 104790256) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
PubChem CID104790256
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1csc2ccccc12)c1ccoc1C
InChIInChI=1S/C17H19NOS/c1-3-18-16(14-8-9-19-12(14)2)10-13-11-20-17-7-5-4-6-15(13)17/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeyPHRNGELNFOQJNN-UHFFFAOYSA-N
XLogP4.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789815
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405423
2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115824043
2-(1-benzothiophen-3-yl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115823579
2-(2-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 61077645
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65360837
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790134
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790179
1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105116408
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790287
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 114857001

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine (CID 104790256) is 2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine is CCNC(Cc1csc2ccccc12)c1ccoc1C.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The InChIKey is PHRNGELNFOQJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-3-18-16(14-8-9-19-12(14)2)10-13-11-20-17-7-5-4-6-15(13)17/h4-9,11,16,18H,3,10H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 104790256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).